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SpringerLink电子期刊(5)
NATURE电子期刊(5)
Elsevier电子期刊(4)
ACS电子期刊(9)
在“
ACS电子期刊
”中,
命中:
9
条,耗时:小于0.01 秒
在所有数据库中总计命中:
23
条
1.
Computational Evidence of Inversion of 1La and 1Lb-Derived Excited States in Naphthalene Excimer Formation from ab Initio Multireference Theory with Large Active Space: DMRG-CASPT2 Study
作者:
Soichi Shirai
;
Yuki
Kurashige
;
Takeshi Yanai
刊名:Journal of Chemical Theory and Computation
出版年:2016
2.
Scalar Relativistic Calculations of Hyperfine Coupling Constants Using Ab Initio Density Matrix Renormalization Group Method in Combination with Third-Order Douglas鈥揔roll鈥揌ess Transformation: C
作者:
Tran Nguyen Lan
;
Yuki
Kurashige
;
Takeshi Yanai
刊名:Journal of Chemical Theory and Computation
出版年:2015
3.
Fully Internally Contracted Multireference Configuration Interaction Theory Using Density Matrix Renormalization Group: A Reduced-Scaling Implementation Derived by Computer-Aided Tensor Factorization
作者:
Masaaki Saitow
;
Yuki
Kurashige
;
Takeshi Yanai
刊名:Journal of Chemical Theory and Computation
出版年:2015
4.
Synthesis of Molecular Wires Strapped by 蟺-Conjugated Side Chains: Integration of Dehydrobenzo[20]annulene Units
作者:
Jun Terao
;
Masami Ohsawa
;
Hiroshi Masai
;
Yuki
Kurashige
;
Tetsuaki Fujihara
;
Yasushi Tsuji
刊名:Journal of Organic Chemistry
出版年:2015
5.
Toward Reliable Prediction of Hyperfine Coupling Constants Using Ab Initio Density Matrix Renormalization Group Method: Diatomic 2危 and Vinyl Radicals as Test Cases
作者:
Tran Nguyen Lan
;
Yuki
Kurashige
;
Takeshi Yanai
刊名:Journal of Chemical Theory and Computation
出版年:2014
6.
Reactivity of the Binuclear Non-Heme Iron Active Site of 螖9 Desaturase Studied by Large-Scale Multireference Ab Initio Calculations
作者:
Jakub Chalupsk媒
;
Tibor Andr谩s Rokob
;
Yuki
Kurashige
;
Takeshi Yanai
;
Edward I. Solomon
;
Lubom铆r Rul铆拧ek
;
Martin Srnec
刊名:Journal of the American Chemical Society
出版年:2014
7.
More 蟺 Electrons Make a Difference: Emergence of Many Radicals on Graphene Nanoribbons Studied by Ab Initio DMRG Theory
作者:
Wataru Mizukami
;
Yuki
Kurashige
;
Takeshi Yanai
刊名:Journal of Chemical Theory and Computation
出版年:2013
8.
Multireference Ab Initio Density Matrix Renormalization Group (DMRG)-CASSCF and DMRG-CASPT2 Study on the Photochromic Ring Opening of Spiropyran
作者:
Fengyi Liu
;
Yuki
Kurashige
;
Takeshi Yanai
;
Keiji Morokuma
刊名:Journal of Chemical Theory and Computation
出版年:2013
9.
Theoretical Investigation of the Excited States of Coumarin Dyes for Dye-Sensitized Solar Cells
作者:
Yuki
Kurashige
;
Takahito Nakajima
;
Saki
Kurashige
;
Kimihiko Hirao
;
Yoshinori Nishikitani
刊名:Journal of Physical Chemistry A
出版年:2007
1
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